Mol:FLID2ANS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9383 0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9383 0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0499 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0499 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5578 -0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5578 -0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9542 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9542 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8426 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8426 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3347 1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3347 1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4621 -0.4378 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.4621 -0.4378 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.1415 -0.2182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.1415 -0.2182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2531 0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2531 0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2390 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2390 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6334 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6334 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5142 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5142 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0403 -1.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0403 -1.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6857 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6857 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8050 -0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8050 -0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2788 -0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2788 -0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5756 -1.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5756 -1.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1827 1.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1827 1.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5248 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5248 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4518 -2.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4518 -2.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2178 -2.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2178 -2.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6900 0.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6900 0.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1595 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1595 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 -2.8184 0.2742 | + | M SVB 3 25 -2.8184 0.2742 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 2.1039 -1.0314 | + | M SVB 2 23 2.1039 -1.0314 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -2.4612 1.4439 | + | M SVB 1 21 -2.4612 1.4439 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID2ANS0003 | + | ID FLID2ANS0003 |
| − | KNApSAcK_ID C00009622 | + | KNApSAcK_ID C00009622 |
| − | NAME 2-Methoxyhomopterocarpin | + | NAME 2-Methoxyhomopterocarpin |
| − | CAS_RN 56782-49-1 | + | CAS_RN 56782-49-1 |
| − | FORMULA C18H18O5 | + | FORMULA C18H18O5 |
| − | EXACTMASS 314.115423686 | + | EXACTMASS 314.115423686 |
| − | AVERAGEMASS 314.33252 | + | AVERAGEMASS 314.33252 |
| − | SMILES c(c4OC)c(c1cc4OC)C(O3)C(c(c32)ccc(OC)c2)CO1 | + | SMILES c(c4OC)c(c1cc4OC)C(O3)C(c(c32)ccc(OC)c2)CO1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-1.9383 0.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0499 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5578 -0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9542 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8426 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3347 1.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4621 -0.4378 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1415 -0.2182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2531 0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2390 0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6334 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5142 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0403 -1.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6857 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8050 -0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2788 -0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5756 -1.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1827 1.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5248 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4518 -2.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2178 -2.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6900 0.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1595 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 -2.8184 0.2742
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 2.1039 -1.0314
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.4612 1.4439
S SKP 8
ID FLID2ANS0003
KNApSAcK_ID C00009622
NAME 2-Methoxyhomopterocarpin
CAS_RN 56782-49-1
FORMULA C18H18O5
EXACTMASS 314.115423686
AVERAGEMASS 314.33252
SMILES c(c4OC)c(c1cc4OC)C(O3)C(c(c32)ccc(OC)c2)CO1
M END
